2-Bromopropionic acid (HCID 11729)

概要

RN given refers to cpd without isomeric designation

名称と識別子

優先名称: 2-Bromopropionic acid
IUPAC: 2-bromopropanoic acid
現地名: 2-ブロモプロピオン酸
英語名: 2-Bromopropionic acid
分子式: C3H5BrO2
分子量: 152.97

名称と別名

2-BROMOPROPIONIC ACID2-Bromopropanoic acid598-72-1Propanoic acid, 2-bromo-alpha-Bromopropionic acidDTXSID9027233UE0XVY2DT6NSC-172J631IDTXCID207233RefChem:85900209-947-6

名称をさらに表示

2-ブロモプロピオン酸2-ブロモプロパン酸α-ブロモプロピオン酸2-ブロモプロピオン酸(α-)2‐ブロモプロピオン酸2-ブロモプロピオン酸溶液2-ブロモプロパン酸, 1000 µg/mL in MtBE(S)-2-BROMOPROPANOIC ACID2-BROMOPROPANAMIDEA-BROMOPROPIONIC ACID2-broMide3-(3-(4'2-Bromopropion-Bromo-[1,1'DL-2-BromopropionicRARECHEM AL BO 1266

Propionic acid, 2-bromo-.alpha.-Bromopropionic acid(+/-)-2-Bromopropionic acid(+/-)-2-Bromopropanoic acid2-bromo-propionic acidBR1120S-2-Bromopropionic acidDL-2-Bromopropionic acid

データベース識別子

CAS: 598-72-1
PubChem CID: 11729
DTXSID: DTXSID9027233
ChEMBL: CHEMBL3182324
UNII: UE0XVY2DT6
EC Number: 209-947-6
Nikkaji: J480D、J631I

物性

構造計算による物性

XLogP: 0.9
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 6
形式電荷: 0
複雑度: 61.8

実験および物理化学的性質

Chemical ClassesOther Classes -> Organic Acids

Vapor Pressure0.29 [mmHg]

Physical Description · 2 件

Liquid

Colorless melt; mp = 25 deg C; [Alfa Aesar MSDS]

物理化学的性質

融点: 25.7 °C · 25.7°C
沸点: 203 °C · 203 °C (lit.)
比重(密度): 1.7 g/mL · 1.7 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.475(lit.)
闪点: 212 °F · 212 °F
貯蔵温度: room temp
外見: 融解後の液体
酸解離定数(Pka): 1 · pK1: 2.971 (25°C)
比重: 1.7 · 1.7
色: 無色透明～黄色
水溶解度: 溶ける
BRN: 605451 · 605451
Dielectric constant: 11 · 11.0
主な用途: 環境
InChI: 1S/C3H5BrO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)
InChIKey: MONMFXREYOKQTI-UHFFFAOYSA-N
NISTの化学物質情報: 2 · 2-Bromopropanoic acid(598-72-1)
EPAの化学物質情報: 2 · Propanoic acid, 2-bromo- (598-72-1)

化学的性質

化学的特性clear colorless to yellowish liquid after melting. soluble in water, miscible with alcohol, ether, chloroform and benzene.

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (69.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 163 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Propanoic acid, 2-bromo-

Propanoic acid, 2-bromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 2-bromo- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 10-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/10591

2-Bromopropionic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

Causes other degenerative changes in brain, ataxia, changes in sodium, and muscle weakness in 2- and 3-day intermittent oral studies of rats; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; [Alfa Aesar MSDS] See 3-Bromopropionic acid.

Hazard Classes and CategoriesAcute Tox. 3 (69.9%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

wgk: 3
tsca: TSCA listed
rtecs: UA2451715
ridadr: UN 3265 8/PG 2
hs_code: 29159080
risk_code: 22-34-40-36/37/38-38-11
化審法: (9)-1167
消防法: 危-4-3-III
hazard_code: C,Xi,F
safety_code: 26-36/37/39-45-36-16-24-9
hazard_class: 8
packing_group: II
Hazard Classifications: Flam. Liq. 2Skin Irrit. 2
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

U.S. Production2023: <50,000 lb

Industry UsesChemical reaction regulator

General Manufacturing Information · 2 件

All Other Chemical Product and Preparation Manufacturing

Propanoic acid, 2-bromo-: ACTIVE

応用分野

使用It is employed as pharmaceutical and agrochemical intermediate. It is used as an alkylation agent for mercaptans and other sulfur containing compounds.

調製方法 · 2 件

製造方法2-Bromopropionic acid is obtained by bromination of propionic acid. Add propionic acid and phosphorus trichloride to the reaction kettle, keep the temperature at 80°C, slowly add bromine to the reaction solution dropwise, and heat up to 85°C after the addition of bromine, and raise the temperature to 100°C when the color of bromine disappears completely, it takes about 2~3h, and then the bromine and hydrobromic acid are recovered under reduced pressure, and then the finished product is obtained by distillation under reduced pressure.

合成方法赤リンの存在下でプロピオン酸に臭素を作用させた後，蒸留?精製する

上流・下流製品情報

上流原料

プロピオン酸三塩化りん

下流製品

L-アラニン 2-フェノキシプロピオン酸 [2R,(+)]-N-フェニル-2-(2-ナフトキシ)プロピオンアミド 2-(メチルチオ)プロピオン酸 1,1-ジブロモエタン (R)-(+)-2-ブロモプロピオン酸 2-メトキシプロパン酸 (S)-(-)-2-ブロモプロピオン酸トリメチルスルホニウムブロミド rac-(R*)-2-アミノプロピオン酸エチル·塩酸塩 2-ヒドロキシプロピオン酸カリウム 2-(4-ブロモフェノキシ)プロパン酸

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2-ブロモプロピオン酸

基本情報

概要